2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum

C177H168N9O3Pt3-3 — CID 157403864

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2c(-c3ccccc3)ccc3ccccc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(-c4ccccc4)ccc4ccccc34)cc(-c3ccccc3)c2)c1.Cc1cc(C)c(-c2cc(-c3cc(C(C)(C)C)ccn3)[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(-c4ccccc4)ccc4ccccc34)c2)c(C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C61H60N3O.2C58H54N3O.3Pt/c1-37-29-38(2)54(39(3)30-37)44-32-42(31-43(33-44)52-36-45(27-28-62-52)59(4,5)6)47-23-18-24-53-55(47)63-58(50-34-46(60(7,8)9)35-51(57(50)65)61(10,11)12)64(53)56-48-22-17-16-21-41(48)25-26-49(56)40-19-14-13-15-20-40;1-56(2,3)43-29-30-59-50(36-43)42-32-40(37-19-12-10-13-20-37)31-41(33-42)45-25-18-26-51-52(45)60-55(48-34-44(57(4,5)6)35-49(54(48)62)58(7,8)9)61(51)53-46-24-17-16-23-39(46)27-28-47(53)38-21-14-11-15-22-38;1-56(2,3)43-32-41(31-42(33-43)50-34-40(29-30-59-50)37-19-12-10-13-20-37)45-25-18-26-51-52(45)60-55(48-35-44(57(4,5)6)36-49(54(48)62)58(7,8)9)61(51)53-46-24-17-16-23-39(46)27-28-47(53)38-21-14-11-15-22-38;;;/h13-30,32-36,65H,1-12H3;10-32,34-36,62H,1-9H3;10-30,32-36,62H,1-9H3;;;/q3*-1;;;
InChIKeyWSMAUJNGVFBZHO-UHFFFAOYSA-N
MW3054.58 g/mol
LogP46.84
Rot. Bonds18

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 157403864) has the molecular formula C177H168N9O3Pt3-3 and a molecular weight of 3054.58 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID157403864
Molecular FormulaC177H168N9O3Pt3-3
Molecular Weight3054.58 g/mol
Exact Mass3052.22
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2c(-c3ccccc3)ccc3ccccc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(-c4ccccc4)ccc4ccccc34)cc(-c3ccccc3)c2)c1.Cc1cc(C)c(-c2cc(-c3cc(C(C)(C)C)ccn3)[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(-c4ccccc4)ccc4ccccc34)c2)c(C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C61H60N3O.2C58H54N3O.3Pt/c1-37-29-38(2)54(39(3)30-37)44-32-42(31-43(33-44)52-36-45(27-28-62-52)59(4,5)6)47-23-18-24-53-55(47)63-58(50-34-46(60(7,8)9)35-51(57(50)65)61(10,11)12)64(53)56-48-22-17-16-21-41(48)25-26-49(56)40-19-14-13-15-20-40;1-56(2,3)43-29-30-59-50(36-43)42-32-40(37-19-12-10-13-20-37)31-41(33-42)45-25-18-26-51-52(45)60-55(48-34-44(57(4,5)6)35-49(54(48)62)58(7,8)9)61(51)53-46-24-17-16-23-39(46)27-28-47(53)38-21-14-11-15-22-38;1-56(2,3)43-32-41(31-42(33-43)50-34-40(29-30-59-50)37-19-12-10-13-20-37)45-25-18-26-51-52(45)60-55(48-35-44(57(4,5)6)36-49(54(48)62)58(7,8)9)61(51)53-46-24-17-16-23-39(46)27-28-47(53)38-21-14-11-15-22-38;;;/h13-30,32-36,65H,1-12H3;10-32,34-36,62H,1-9H3;10-30,32-36,62H,1-9H3;;;/q3*-1;;;
InChIKeyWSMAUJNGVFBZHO-UHFFFAOYSA-N
XLogP46.84
TPSA152.82 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003054.58
LogP ≤ 546.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum (CID 157403864) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2c(-c3ccccc3)ccc3ccccc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(-c4ccccc4)ccc4ccccc34)cc(-c3ccccc3)c2)c1.Cc1cc(C)c(-c2cc(-c3cc(C(C)(C)C)ccn3)[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(-c4ccccc4)ccc4ccccc34)c2)c(C)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is WSMAUJNGVFBZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N3O.2C58H54N3O.3Pt/c1-37-29-38(2)54(39(3)30-37)44-32-42(31-43(33-44)52-36-45(27-28-62-52)59(4,5)6)47-23-18-24-53-55(47)63-58(50-34-46(60(7,8)9)35-51(57(50)65)61(10,11)12)64(53)56-48-22-17-16-21-41(48)25-26-49(56)40-19-14-13-15-20-40;1-56(2,3)43-29-30-59-50(36-43)42-32-40(37-19-12-10-13-20-37)31-41(33-42)45-25-18-26-51-52(45)60-55(48-34-44(57(4,5)6)35-49(54(48)62)58(7,8)9)61(51)53-46-24-17-16-23-39(46)27-28-47(53)38-21-14-11-15-22-38;1-56(2,3)43-32-41(31-42(33-43)50-34-40(29-30-59-50)37-19-12-10-13-20-37)45-25-18-26-51-52(45)60-55(48-35-44(57(4,5)6)36-49(54(48)62)58(7,8)9)61(51)53-46-24-17-16-23-39(46)27-28-47(53)38-21-14-11-15-22-38;;;/h13-30,32-36,65H,1-12H3;10-32,34-36,62H,1-9H3;10-30,32-36,62H,1-9H3;;;/q3*-1;;;.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 3054.58 g/mol, XLogP of 46.84, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(4-tert-butyl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 157403864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).